3U45
Human Carbonic Anhydrase II V143A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-06-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.250, 41.593, 72.260 |
Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
Resolution | 23.819 - 1.699 |
R-factor | 0.174 |
Rwork | 0.159 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tbt |
RMSD bond length | 0.006 |
RMSD bond angle | 1.095 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.699 | 3.660 | 1.700 |
Rmerge | 0.032 | 0.094 | |
Number of reflections | 25901 | ||
<I/σ(I)> | 30 | ||
Completeness [%] | 96.7 | 93.5 | 98.1 |
Redundancy | 3.3 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M Sodium Citrate 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |